#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl1 n ASN 2 N 0.00 -8.19 -3.55 7.83 3.02 -1.26 -4.64 115.26 108.47 2kl1 n ASN 2 Ca 0.00 1.44 -0.23 0.00 -0.03 0.00 0.00 54.58 55.76 2kl1 n ASN 2 Cb 0.00 -4.80 0.03 0.00 -0.61 0.00 0.00 39.78 34.40 2kl1 n ASN 2 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2kl1 n GLU 3 N 1.93 -1.33 -3.66 3.52 4.07 -1.26 -4.99 120.64 118.92 2kl1 n GLU 3 Ca 0.00 0.76 -0.04 0.00 -0.06 0.00 0.00 57.16 57.82 2kl1 n GLU 3 Cb 0.00 -4.14 -0.01 0.00 -0.06 0.00 0.00 31.44 27.23 2kl1 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kl1 s ALA 4 N -3.26 -1.82 0.00 4.31 0.00 -1.26 -5.17 121.76 114.57 2kl1 s ALA 4 Ca 0.27 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2kl1 s ALA 4 Cb -0.09 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2kl1 s ALA 4 CO 0.84 -0.92 0.00 1.17 0.00 0.00 0.00 175.76 176.85 2kl1 n LYS 5 N -0.39 0.00 0.00 0.00 4.81 -1.26 -4.74 118.16 116.58 2kl1 n LYS 5 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2kl1 n LYS 5 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 2kl1 n LYS 5 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kl1 n GLY 6 N 1.33 1.62 3.55 3.14 0.00 -1.26 -4.86 105.19 108.70 2kl1 n GLY 6 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 2kl1 n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kl1 n VAL 7 N 1.69 -0.05 -1.66 1.61 0.31 -1.24 -4.78 118.33 114.20 2kl1 n VAL 7 Ca 0.00 -0.67 -0.43 0.00 -0.01 0.00 0.00 64.34 63.23 2kl1 n VAL 7 Cb 0.00 -2.41 -0.03 0.00 -0.91 0.00 0.00 33.84 30.49 2kl1 n VAL 7 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2kl1 s TYR 8 N 13.02 1.26 0.03 3.52 2.02 -1.26 -3.22 117.35 132.71 2kl1 s TYR 8 Ca 0.98 0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 57.54 2kl1 s TYR 8 Cb -0.19 -4.05 -0.04 0.00 -0.40 0.00 0.00 41.96 37.28 2kl1 s TYR 8 CO 0.20 -4.58 0.99 0.08 -1.57 0.00 0.00 175.55 170.67 2kl1 s VAL 9 N 6.72 4.72 0.00 0.71 1.01 -1.11 -5.00 120.40 127.44 2kl1 s VAL 9 Ca 0.94 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.94 2kl1 s VAL 9 Cb -0.36 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.73 2kl1 s VAL 9 CO 0.37 0.19 0.00 0.80 0.00 0.00 0.00 175.10 176.46 2kl1 n MET 10 N 3.64 0.00 -4.31 2.72 1.56 -1.26 -3.09 117.12 116.38 2kl1 n MET 10 Ca 0.05 0.34 -0.17 0.00 -0.27 0.00 0.00 57.70 57.66 2kl1 n MET 10 Cb 0.50 -0.83 -0.10 0.00 2.15 0.00 0.00 33.22 34.94 2kl1 n MET 10 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2kl1 s SER 11 N -2.50 2.08 -0.07 6.12 0.01 -1.26 -4.57 113.70 113.51 2kl1 s SER 11 Ca 0.00 -1.09 0.04 0.00 1.31 0.00 0.00 55.95 56.21 2kl1 s SER 11 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2kl1 s SER 11 CO 0.00 -0.34 -0.18 -0.69 0.41 0.00 0.00 173.24 172.43 2kl1 s VAL 12 N -3.24 1.57 -0.35 3.43 1.01 -1.26 -4.53 120.40 117.04 2kl1 s VAL 12 Ca 0.22 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2kl1 s VAL 12 Cb 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2kl1 s VAL 12 CO 0.05 0.45 0.70 -0.76 0.00 0.00 0.00 175.10 175.55 2kl1 s LEU 13 N 0.36 4.18 0.66 3.92 2.01 -1.26 -4.93 118.68 123.63 2kl1 s LEU 13 Ca -0.13 0.31 0.29 0.00 0.01 0.00 0.00 54.13 54.61 2kl1 s LEU 13 Cb -0.15 -2.91 1.59 0.00 0.01 0.00 0.00 46.19 44.73 2kl1 s LEU 13 CO 0.05 -0.63 1.89 -0.65 1.01 0.00 0.00 176.35 178.02 2kl1 h PRO 14 N 8.39 0.00 -0.69 1.29 0.11 -1.98 0.21 132.00 139.33 2kl1 h PRO 14 Ca -0.26 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 2kl1 h PRO 14 Cb 1.10 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 2kl1 h PRO 14 CO 0.86 0.00 0.14 -1.71 -0.21 0.00 0.00 178.00 177.09 2kl1 n ASN 15 N -2.87 5.17 -4.44 -2.05 4.05 -1.26 -4.83 115.26 109.03 2kl1 n ASN 15 Ca -0.02 -3.05 -0.24 0.00 0.45 0.00 0.00 54.58 51.73 2kl1 n ASN 15 Cb 0.39 -0.72 -0.10 0.00 1.23 0.00 0.00 39.78 40.58 2kl1 n ASN 15 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2kl1 s MET 16 N -2.81 1.60 0.64 1.20 -1.94 0.74 -5.03 119.30 113.69 2kl1 s MET 16 Ca 0.53 -1.70 0.39 0.00 -1.71 0.00 0.00 55.69 53.20 2kl1 s MET 16 Cb 0.42 -1.68 2.19 0.00 2.01 0.00 0.00 34.83 37.77 2kl1 s MET 16 CO 0.14 0.32 2.32 -1.35 -0.01 0.00 0.00 175.02 176.44 2kl1 h PRO 17 N 2.47 0.00 0.00 2.03 0.11 -1.87 -1.57 132.00 133.17 2kl1 h PRO 17 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2kl1 h PRO 17 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kl1 h PRO 17 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 2kl1 n ALA 18 N -2.17 2.17 -1.99 -0.75 0.00 -1.26 -4.68 120.51 111.82 2kl1 n ALA 18 Ca -0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2kl1 n ALA 18 Cb 0.08 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 2kl1 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 s ALA 19 N -3.13 3.62 0.00 0.00 0.00 -0.59 0.40 121.76 122.06 2kl1 s ALA 19 Ca 0.10 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.29 2kl1 s ALA 19 Cb 0.12 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2kl1 s ALA 19 CO 0.55 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2kl1 n GLY 20 N 2.84 3.18 0.14 0.00 0.00 -1.26 -4.71 105.19 105.36 2kl1 n GLY 20 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2kl1 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kl1 n ARG 21 N -2.00 0.48 -4.42 1.61 1.74 -0.87 -5.03 116.66 108.18 2kl1 n ARG 21 Ca 0.00 0.13 -0.25 0.00 -0.77 0.00 0.00 57.85 56.96 2kl1 n ARG 21 Cb 0.00 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 2kl1 n ARG 21 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kl1 s LEU 22 N -6.29 2.49 0.05 0.55 1.43 0.16 -4.90 118.68 112.18 2kl1 s LEU 22 Ca -0.27 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 2kl1 s LEU 22 Cb 0.07 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 2kl1 s LEU 22 CO 0.44 0.05 -0.05 -1.61 0.23 0.00 0.00 176.35 175.42 2kl1 s GLU 23 N -3.03 0.58 0.28 1.70 2.02 -1.26 -4.60 118.70 114.39 2kl1 s GLU 23 Ca 0.23 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 2kl1 s GLU 23 Cb -0.06 0.00 -0.12 0.00 0.10 0.00 0.00 34.13 34.06 2kl1 s GLU 23 CO 0.11 -0.05 1.62 0.00 0.02 0.00 0.00 175.26 176.97 2kl1 s ALA 24 N -2.84 3.79 0.00 5.21 0.00 -1.26 -2.04 121.76 124.61 2kl1 s ALA 24 Ca -0.00 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2kl1 s ALA 24 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2kl1 s ALA 24 CO -0.05 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2kl1 n GLY 25 N 2.46 2.40 3.77 0.00 0.00 -1.18 -5.06 105.19 107.58 2kl1 n GLY 25 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2kl1 n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kl1 s ASP 26 N -0.32 6.32 0.15 1.61 1.01 -0.87 -4.67 116.67 119.90 2kl1 s ASP 26 Ca 0.00 2.32 0.07 0.00 0.71 0.00 0.00 52.55 55.65 2kl1 s ASP 26 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2kl1 s ASP 26 CO 0.00 -0.82 -0.02 0.00 0.21 0.00 0.00 175.17 174.55 2kl1 s ARG 27 N -2.54 2.37 -0.27 8.23 1.70 -1.22 -2.76 118.95 124.45 2kl1 s ARG 27 Ca 0.61 -1.06 -0.15 0.00 -0.47 0.00 0.00 55.73 54.65 2kl1 s ARG 27 Cb -0.29 -2.37 -0.03 0.00 -0.57 0.00 0.00 34.95 31.68 2kl1 s ARG 27 CO 0.36 0.47 0.39 0.42 -1.08 0.00 0.00 175.30 175.86 2kl1 s ILE 28 N -1.59 5.16 -0.42 4.99 -1.09 -1.20 -1.78 121.20 125.28 2kl1 s ILE 28 Ca 0.26 0.56 0.23 0.00 -2.23 0.00 0.00 60.65 59.47 2kl1 s ILE 28 Cb -0.10 -3.72 -0.11 0.00 -1.58 0.00 0.00 42.46 36.94 2kl1 s ILE 28 CO 0.18 0.13 0.95 0.00 -1.23 0.00 0.00 174.94 174.97 2kl1 n ALA 29 N 5.36 3.05 0.00 9.38 0.00 -0.84 -3.70 120.51 133.77 2kl1 n ALA 29 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2kl1 n ALA 29 Cb 0.51 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2kl1 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 n ALA 30 N -1.99 0.00 -3.70 0.00 0.00 -1.19 -4.22 120.51 109.40 2kl1 n ALA 30 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2kl1 n ALA 30 Cb 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.77 2kl1 n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kl1 s ILE 31 N -2.00 0.36 -0.88 0.00 1.01 -0.48 -0.02 121.20 119.19 2kl1 s ILE 31 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2kl1 s ILE 31 Cb 0.00 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 42.01 2kl1 s ILE 31 CO 0.00 0.21 0.00 -0.90 0.00 0.00 0.00 174.94 174.25 2kl1 n ASP 32 N 4.50 -2.81 0.00 3.58 5.68 0.30 0.16 116.55 127.96 2kl1 n ASP 32 Ca -0.18 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 2kl1 n ASP 32 Cb 0.50 -2.54 0.00 0.00 -1.14 0.00 0.00 41.12 37.94 2kl1 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kl1 n GLY 33 N -0.05 0.42 3.50 6.12 0.00 -1.26 -5.03 105.19 108.88 2kl1 n GLY 33 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2kl1 n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kl1 s GLN 34 N -0.80 3.21 0.26 1.61 -1.52 0.41 -5.05 119.66 117.78 2kl1 s GLN 34 Ca 0.00 -0.55 -0.31 0.00 -1.95 0.00 0.00 55.36 52.55 2kl1 s GLN 34 Cb 0.00 -3.99 -0.12 0.00 -0.22 0.00 0.00 33.01 28.68 2kl1 s GLN 34 CO 0.00 -1.06 1.62 -2.30 -0.25 0.00 0.00 175.29 173.30 2kl1 n PRO 35 N 6.19 2.64 -3.61 2.91 -0.02 -1.26 -1.38 135.00 140.46 2kl1 n PRO 35 Ca -0.04 0.94 -0.39 0.00 -2.02 0.00 0.00 63.50 62.00 2kl1 n PRO 35 Cb 0.47 -2.73 -0.11 0.00 -0.02 0.00 0.00 33.50 31.11 2kl1 n PRO 35 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kl1 s ILE 36 N 0.39 4.95 -0.05 4.25 -1.09 -1.26 -4.92 121.20 123.46 2kl1 s ILE 36 Ca 0.68 -0.22 0.12 0.00 -2.23 0.00 0.00 60.65 59.01 2kl1 s ILE 36 Cb -0.52 -3.48 -0.19 0.00 -1.58 0.00 0.00 42.46 36.69 2kl1 s ILE 36 CO 0.43 0.10 0.20 -0.46 -1.23 0.00 0.00 174.94 173.98 2kl1 n ASN 37 N 5.04 1.98 -4.09 3.58 0.23 -1.26 -4.79 115.26 115.94 2kl1 n ASN 37 Ca -0.14 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.81 2kl1 n ASN 37 Cb 0.50 1.32 -0.11 0.00 -2.08 0.00 0.00 39.78 39.42 2kl1 n ASN 37 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2kl1 s THR 38 N -2.70 0.48 0.29 5.53 -4.23 -1.26 -5.04 115.64 108.71 2kl1 s THR 38 Ca -0.05 -1.48 0.06 0.00 -1.18 0.00 0.00 61.69 59.03 2kl1 s THR 38 Cb 0.07 -1.10 0.04 0.00 1.34 0.00 0.00 72.50 72.85 2kl1 s THR 38 CO 0.53 -0.68 1.70 0.77 -0.54 0.00 0.00 174.62 176.40 2kl1 h SER 39 N 3.75 0.29 0.01 3.99 4.64 -2.02 -2.59 113.55 121.62 2kl1 h SER 39 Ca -0.35 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 2kl1 h SER 39 Cb 1.18 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2kl1 h SER 39 CO 0.54 0.66 -0.05 -0.08 -0.87 0.00 0.00 176.83 177.03 2kl1 h GLU 40 N 0.24 0.11 -0.00 4.77 4.57 -2.01 -0.99 114.58 121.27 2kl1 h GLU 40 Ca 0.02 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2kl1 h GLU 40 Cb 0.80 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2kl1 h GLU 40 CO 0.06 0.17 -0.10 0.37 -1.18 0.00 0.00 179.01 178.33 2kl1 h GLN 41 N 0.11 0.00 0.00 1.92 -0.00 -1.88 -0.92 115.11 114.34 2kl1 h GLN 41 Ca 0.03 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.56 2kl1 h GLN 41 Cb 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 2kl1 h GLN 41 CO 0.01 0.10 -0.56 0.82 0.00 0.00 0.00 178.83 179.20 2kl1 h ILE 42 N 0.00 1.37 -0.37 2.39 1.08 -1.27 -2.48 117.51 118.22 2kl1 h ILE 42 Ca -0.00 -1.94 -0.07 0.00 -0.39 0.00 0.00 64.86 62.46 2kl1 h ILE 42 Cb 0.18 2.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 2kl1 h ILE 42 CO 0.01 0.55 -0.03 0.58 -0.69 0.00 0.00 178.15 178.57 2kl1 h VAL 43 N 0.00 1.27 -0.51 1.67 2.07 -1.13 -1.69 116.25 117.93 2kl1 h VAL 43 Ca -0.01 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 2kl1 h VAL 43 Cb 1.01 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2kl1 h VAL 43 CO 0.07 0.35 0.08 -1.28 0.02 0.00 0.00 177.57 176.82 2kl1 h SER 44 N 0.49 0.81 0.52 0.57 0.87 -1.43 -2.16 113.55 113.22 2kl1 h SER 44 Ca 0.10 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 2kl1 h SER 44 Cb 0.51 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2kl1 h SER 44 CO 0.03 0.86 -0.36 0.22 -0.53 0.00 0.00 176.83 177.04 2kl1 h TYR 45 N 0.73 -0.97 -0.94 2.24 3.20 -1.29 -0.38 116.97 119.55 2kl1 h TYR 45 Ca 0.16 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.15 2kl1 h TYR 45 Cb 0.40 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 38.94 2kl1 h TYR 45 CO 0.03 -0.54 0.56 0.28 -1.64 0.00 0.00 178.16 176.85 2kl1 h VAL 46 N -0.86 0.86 0.00 1.81 2.07 -1.30 0.37 116.25 119.21 2kl1 h VAL 46 Ca -0.06 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2kl1 h VAL 46 Cb 0.72 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2kl1 h VAL 46 CO 0.03 0.16 -0.02 0.03 0.02 0.00 0.00 177.57 177.78 2kl1 h ARG 47 N 0.87 0.00 0.57 1.57 2.47 -0.86 -3.05 114.38 115.95 2kl1 h ARG 47 Ca 0.48 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.17 2kl1 h ARG 47 Cb 0.54 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.86 2kl1 h ARG 47 CO -0.29 0.02 -0.28 1.49 0.56 0.00 0.00 179.97 181.48 2kl1 h GLU 48 N 0.00 -0.74 0.00 0.04 4.57 0.15 -3.45 114.58 115.15 2kl1 h GLU 48 Ca -0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2kl1 h GLU 48 Cb 0.32 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2kl1 h GLU 48 CO 0.00 -0.46 0.00 1.63 -1.18 0.00 0.00 179.01 179.00 2kl1 n LYS 49 N -5.39 1.55 -2.30 1.92 4.01 -1.15 -5.12 118.16 111.67 2kl1 n LYS 49 Ca -0.12 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.65 2kl1 n LYS 49 Cb 0.33 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.84 2kl1 n LYS 49 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kl1 n GLN 50 N -0.34 0.08 -2.04 1.97 10.64 -1.26 -4.98 117.38 121.45 2kl1 n GLN 50 Ca 0.00 -0.54 -0.41 0.00 -1.83 0.00 0.00 57.00 54.22 2kl1 n GLN 50 Cb 0.00 0.46 -0.02 0.00 -0.86 0.00 0.00 30.24 29.81 2kl1 n GLN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kl1 s ALA 51 N -2.15 3.62 0.00 2.61 0.00 -1.26 -2.34 121.76 122.24 2kl1 s ALA 51 Ca 0.06 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2kl1 s ALA 51 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2kl1 s ALA 51 CO 0.04 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2kl1 n GLY 52 N 2.29 0.61 3.87 0.00 0.00 -0.55 -5.03 105.19 106.37 2kl1 n GLY 52 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2kl1 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl1 s ASP 53 N -2.91 5.82 -0.11 1.61 2.15 -0.99 -4.84 116.67 117.40 2kl1 s ASP 53 Ca 0.00 1.33 0.00 0.00 0.43 0.00 0.00 52.55 54.31 2kl1 s ASP 53 Cb 0.00 -2.26 0.02 0.00 -0.30 0.00 0.00 42.92 40.38 2kl1 s ASP 53 CO 0.00 -1.12 -0.11 -0.60 -0.17 0.00 0.00 175.17 173.17 2kl1 s ARG 54 N -5.23 1.85 -0.07 4.34 3.52 -1.26 -1.15 118.95 120.96 2kl1 s ARG 54 Ca 0.57 -0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 2kl1 s ARG 54 Cb -0.11 -1.74 -0.00 0.00 -1.56 0.00 0.00 34.95 31.54 2kl1 s ARG 54 CO 0.53 -0.18 -0.20 0.14 -0.81 0.00 0.00 175.30 174.78 2kl1 s VAL 55 N 1.38 1.68 -0.32 7.11 -7.23 -0.58 -5.03 120.40 117.41 2kl1 s VAL 55 Ca 0.00 -0.83 -0.26 0.00 -1.81 0.00 0.00 61.98 59.08 2kl1 s VAL 55 Cb -0.13 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.37 2kl1 s VAL 55 CO -0.06 0.47 0.94 -0.13 -0.31 0.00 0.00 175.10 176.01 2kl1 s ARG 56 N 0.20 3.98 -0.15 4.82 1.81 -1.26 -2.69 118.95 125.66 2kl1 s ARG 56 Ca -0.10 0.79 -0.04 0.00 -1.72 0.00 0.00 55.73 54.66 2kl1 s ARG 56 Cb -0.15 -3.75 -0.03 0.00 -0.45 0.00 0.00 34.95 30.58 2kl1 s ARG 56 CO 0.05 -0.82 -0.01 0.08 -0.68 0.00 0.00 175.30 173.92 2kl1 s VAL 57 N 3.34 4.18 -0.17 3.52 1.01 -0.46 0.11 120.40 131.93 2kl1 s VAL 57 Ca 0.39 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 2kl1 s VAL 57 Cb -0.13 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2kl1 s VAL 57 CO 0.15 0.50 0.11 -0.89 0.00 0.00 0.00 175.10 174.96 2kl1 s THR 58 N 0.21 5.19 0.01 3.92 2.01 0.98 0.20 115.64 128.17 2kl1 s THR 58 Ca -0.00 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 2kl1 s THR 58 Cb -0.13 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.07 2kl1 s THR 58 CO 0.02 0.51 0.24 0.72 -0.69 0.00 0.00 174.62 175.42 2kl1 s PHE 59 N -0.10 -0.06 -0.08 4.92 -0.12 -0.67 -1.98 117.98 119.89 2kl1 s PHE 59 Ca 0.09 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 56.95 2kl1 s PHE 59 Cb -0.12 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 2kl1 s PHE 59 CO 0.00 -0.40 -0.05 0.42 -0.05 0.00 0.00 175.22 175.14 2kl1 s ILE 60 N -1.90 3.83 -0.07 -4.49 1.09 -0.73 -1.31 121.20 117.61 2kl1 s ILE 60 Ca -0.10 -0.43 -0.03 0.00 -1.10 0.00 0.00 60.65 58.99 2kl1 s ILE 60 Cb -0.04 -2.58 0.04 0.00 -1.06 0.00 0.00 42.46 38.82 2kl1 s ILE 60 CO 0.00 0.60 0.14 -0.60 -0.10 0.00 0.00 174.94 174.98 2kl1 s ARG 61 N -0.76 0.02 -1.54 2.79 3.52 -0.56 -3.43 118.95 118.99 2kl1 s ARG 61 Ca 0.12 0.50 -0.13 0.00 -0.13 0.00 0.00 55.73 56.08 2kl1 s ARG 61 Cb -0.11 -0.29 0.09 0.00 -1.56 0.00 0.00 34.95 33.08 2kl1 s ARG 61 CO 0.02 -0.28 0.94 -0.25 -0.81 0.00 0.00 175.30 174.91 2kl1 n ASP 62 N 5.12 -4.36 -0.30 -2.12 8.00 -1.26 0.39 116.55 122.03 2kl1 n ASP 62 Ca -0.08 -0.82 -0.04 0.00 0.71 0.00 0.00 54.79 54.56 2kl1 n ASP 62 Cb 0.50 -3.74 -0.02 0.00 -0.02 0.00 0.00 41.12 37.85 2kl1 n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kl1 n ARG 63 N -4.63 -0.99 -3.88 -1.24 1.74 -1.26 -4.98 116.66 101.42 2kl1 n ARG 63 Ca 0.02 0.48 -0.35 0.00 -0.77 0.00 0.00 57.85 57.24 2kl1 n ARG 63 Cb 0.53 -4.36 -0.13 0.00 -1.02 0.00 0.00 32.46 27.48 2kl1 n ARG 63 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2kl1 s LYS 64 N -1.72 2.40 0.06 5.56 1.02 0.16 -5.09 119.74 122.13 2kl1 s LYS 64 Ca 0.00 -1.31 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 2kl1 s LYS 64 Cb 0.00 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 2kl1 s LYS 64 CO 0.00 -0.67 1.07 1.14 -0.92 0.00 0.00 175.35 175.98 2kl1 s GLN 65 N 1.25 4.54 -0.05 1.68 -2.07 -1.26 -1.49 119.66 122.26 2kl1 s GLN 65 Ca -0.04 1.59 -0.08 0.00 -1.82 0.00 0.00 55.36 55.01 2kl1 s GLN 65 Cb -0.20 -3.38 0.02 0.00 -1.09 0.00 0.00 33.01 28.35 2kl1 s GLN 65 CO -0.01 -0.07 0.20 -1.01 -1.32 0.00 0.00 175.29 173.09 2kl1 s HIS 66 N 0.70 -0.14 0.01 9.60 3.76 -0.43 -4.99 115.29 123.79 2kl1 s HIS 66 Ca 0.53 0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 55.58 2kl1 s HIS 66 Cb -0.26 0.04 -0.06 0.00 1.11 0.00 0.00 32.58 33.42 2kl1 s HIS 66 CO 0.30 -0.21 0.51 -1.21 -0.85 0.00 0.00 174.74 173.28 2kl1 s GLU 67 N -0.55 4.16 -0.23 1.40 8.01 -1.26 -1.67 118.70 128.55 2kl1 s GLU 67 Ca -0.06 0.59 -0.05 0.00 0.01 0.00 0.00 54.97 55.45 2kl1 s GLU 67 Cb -0.04 -3.28 -0.02 0.00 -4.31 0.00 0.00 34.13 26.48 2kl1 s GLU 67 CO 0.01 0.53 -0.00 0.00 0.01 0.00 0.00 175.26 175.81 2kl1 s ALA 68 N -0.65 2.94 -0.69 5.21 0.00 0.54 -4.93 121.76 124.17 2kl1 s ALA 68 Ca 0.27 -1.15 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 2kl1 s ALA 68 Cb -0.18 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.15 2kl1 s ALA 68 CO 0.15 -0.44 1.23 -1.21 0.00 0.00 0.00 175.76 175.49 2kl1 s GLU 69 N 1.50 3.25 -0.05 0.00 2.02 -1.26 -1.35 118.70 122.81 2kl1 s GLU 69 Ca 0.06 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.88 2kl1 s GLU 69 Cb -0.15 -4.15 -0.03 0.00 0.10 0.00 0.00 34.13 29.91 2kl1 s GLU 69 CO -0.01 -2.01 -0.08 -1.17 0.02 0.00 0.00 175.26 172.02 2kl1 s LEU 70 N 5.39 3.12 -0.08 1.80 0.20 -1.10 -4.74 118.68 123.27 2kl1 s LEU 70 Ca 0.35 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 55.15 2kl1 s LEU 70 Cb -0.09 -1.70 -0.00 0.00 -0.43 0.00 0.00 46.19 43.96 2kl1 s LEU 70 CO 0.17 0.34 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.64 2kl1 s VAL 71 N -0.85 2.08 0.00 1.68 1.01 -1.26 -1.52 120.40 121.54 2kl1 s VAL 71 Ca 0.13 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2kl1 s VAL 71 Cb -0.11 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.43 2kl1 s VAL 71 CO 0.03 0.56 1.67 -0.76 0.00 0.00 0.00 175.10 176.60 2kl1 s LEU 72 N 0.15 4.35 -0.07 3.92 2.01 -0.30 -4.80 118.68 123.93 2kl1 s LEU 72 Ca -0.13 2.36 0.00 0.00 0.01 0.00 0.00 54.13 56.37 2kl1 s LEU 72 Cb -0.16 -3.54 0.02 0.00 0.01 0.00 0.00 46.19 42.51 2kl1 s LEU 72 CO 0.07 -0.91 -0.06 -0.75 1.01 0.00 0.00 176.35 175.71 2kl1 s LYS 73 N 3.52 1.13 0.77 1.70 2.20 -1.26 -1.48 119.74 126.32 2kl1 s LYS 73 Ca 0.75 -0.15 -0.13 0.00 -0.36 0.00 0.00 55.97 56.08 2kl1 s LYS 73 Cb -0.36 -1.19 0.18 0.00 -1.51 0.00 0.00 37.83 34.95 2kl1 s LYS 73 CO 0.32 -0.17 0.89 -0.35 -0.36 0.00 0.00 175.35 175.67 2kl1 n PRO 74 N 4.53 -1.53 -4.83 4.03 -0.04 -1.26 -0.42 135.00 135.49 2kl1 n PRO 74 Ca -0.17 -1.39 -0.30 0.00 -0.04 0.00 0.00 63.50 61.60 2kl1 n PRO 74 Cb 0.51 -1.05 -0.14 0.00 -0.04 0.00 0.00 33.50 32.77 2kl1 n PRO 74 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kl1 s PHE 75 N -2.83 2.40 0.23 0.54 0.08 -1.23 -4.81 117.98 112.36 2kl1 s PHE 75 Ca 0.53 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.19 2kl1 s PHE 75 Cb -0.03 -1.41 0.24 0.00 -0.57 0.00 0.00 43.02 41.25 2kl1 s PHE 75 CO 0.38 0.17 1.63 -1.00 -0.10 0.00 0.00 175.22 176.30 2kl1 h PRO 76 N 4.71 0.65 -0.32 0.24 0.13 -1.96 0.31 132.00 135.75 2kl1 h PRO 76 Ca -0.47 -0.28 -0.17 0.00 -0.87 0.00 0.00 66.00 64.21 2kl1 h PRO 76 Cb 1.15 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kl1 h PRO 76 CO 0.45 0.86 -0.46 0.45 -0.23 0.00 0.00 178.00 179.07 2kl1 h HIS 77 N 0.56 1.03 -2.15 1.56 3.86 -2.01 -3.38 115.15 114.62 2kl1 h HIS 77 Ca 0.07 -0.34 -0.57 0.00 -1.16 0.00 0.00 60.37 58.37 2kl1 h HIS 77 Cb 0.78 -0.21 -0.39 0.00 1.06 0.00 0.00 27.41 28.66 2kl1 h HIS 77 CO 0.03 1.14 -1.06 0.72 0.86 0.00 0.00 177.93 179.63 2kl1 n HIS 78 N -4.03 -0.58 0.28 2.45 8.25 -1.16 -4.96 115.22 115.47 2kl1 n HIS 78 Ca -0.03 -3.46 0.18 0.00 -0.26 0.00 0.00 57.72 54.15 2kl1 n HIS 78 Cb 0.58 -0.10 0.96 0.00 1.12 0.00 0.00 29.99 32.55 2kl1 n HIS 78 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kl1 h PRO 79 N 4.66 0.00 0.00 -0.41 0.11 -0.57 -1.21 132.00 134.58 2kl1 h PRO 79 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2kl1 h PRO 79 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2kl1 h PRO 79 CO 0.43 0.00 0.03 -0.91 -0.21 0.00 0.00 178.00 177.33 2kl1 h ASN 80 N 0.00 0.00 -3.58 -2.05 2.35 -1.93 -3.42 115.58 106.95 2kl1 h ASN 80 Ca 0.03 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.11 2kl1 h ASN 80 Cb 0.25 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.46 2kl1 h ASN 80 CO -0.00 0.00 -0.72 -1.58 -1.65 0.00 0.00 177.43 173.48 2kl1 s GLN 81 N -3.83 2.32 0.71 0.81 2.00 -0.46 -5.10 119.66 116.11 2kl1 s GLN 81 Ca -0.04 -0.89 0.02 0.00 -2.00 0.00 0.00 55.36 52.45 2kl1 s GLN 81 Cb 0.09 -2.39 0.13 0.00 0.80 0.00 0.00 33.01 31.64 2kl1 s GLN 81 CO 0.29 0.55 0.98 0.42 -0.50 0.00 0.00 175.29 177.03 2kl1 s ILE 82 N -1.13 2.03 0.16 -2.34 -1.09 -1.26 -3.48 121.20 114.08 2kl1 s ILE 82 Ca 0.20 -0.70 -0.32 0.00 -2.23 0.00 0.00 60.65 57.60 2kl1 s ILE 82 Cb -0.11 -2.32 -0.10 0.00 -1.58 0.00 0.00 42.46 38.35 2kl1 s ILE 82 CO 0.12 0.00 1.55 -0.83 -1.23 0.00 0.00 174.94 174.55 2kl1 s GLY 83 N -4.78 1.60 0.04 6.18 0.00 0.44 -4.81 107.32 105.99 2kl1 s GLY 83 Ca 0.67 1.35 0.22 0.00 0.00 0.00 0.00 44.72 46.96 2kl1 s GLY 83 CO 0.44 2.61 0.75 1.04 0.00 0.00 0.00 173.10 177.94 2kl1 n LEU 84 N 3.97 0.40 0.00 0.66 4.77 -1.26 -4.82 117.00 120.71 2kl1 n LEU 84 Ca 0.14 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2kl1 n LEU 84 Cb 0.39 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2kl1 n LEU 84 CO 0.61 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2kl1 n GLY 85 N 1.29 1.07 3.88 -0.72 0.00 -1.26 -4.72 105.19 104.73 2kl1 n GLY 85 Ca -0.01 0.36 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 2kl1 n GLY 85 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kl1 s VAL 86 N 0.00 2.41 -2.00 1.61 -7.23 -1.26 -4.64 120.40 109.29 2kl1 s VAL 86 Ca 0.00 -1.37 0.26 0.00 -1.81 0.00 0.00 61.98 59.06 2kl1 s VAL 86 Cb 0.00 -2.78 0.75 0.00 0.56 0.00 0.00 36.38 34.91 2kl1 s VAL 86 CO 0.00 0.00 1.93 0.41 -0.31 0.00 0.00 175.10 177.13